SCHEMBL31474683

SCHEMBL31474683

NC(=O)[n+]1ccccc1.[Sn+4]

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
PARP1 P09874 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LDHA P00338 1/20 0.30
LDHB P07195 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL164413 0.97
Hydrochloric Acid SCHEMBL2810241 0.94 ACHE (0.33) ACHEPOLBCYP3A4PARP1MAPT
Iodide SCHEMBL9871002 0.94 ACHE (0.33) ACHEPOLBCYP3A4PARP1MAPT
SCHEMBL11166985 0.94 ACHE (0.33) ACHEPOLBCYP3A4PARP1MAPT
SCHEMBL15636686 0.81 ACHE (0.32) ACHE
SCHEMBL313063 0.71
SCHEMBL11047060 0.71 KMT2A (0.32)
SCHEMBL28622909 0.69 KMT2A (0.36) ACHE
Hydrochloric Acid SCHEMBL8068553 0.69 KMT2A (0.36) ACHEPOLBMAPTL3MBTL1
Water SCHEMBL28100748 0.69 KMT2A (0.36) ACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707793-A Methane trimethyl amide bridged pyridine amide tri-quaternary ammonium salt and preparation method and application thereof 山西大学 2025-03-28 CN claimed